1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-piperonyl-4-(3-pyridylmethyl)piperazine-1,4-diium Formula: C18H23N3O2+2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

InChI=1S/C18H21N3O2/c1-2-16(11-19-5-1)13-21-8-6-20(7-9-21)12-15-3-4-17-18(10-15)23-14-22-17/h1-5,10-11H,6-9,12-14H2/p+2